1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine

C18H35N — CID 103961155

IUPAC1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCC1CCC(C2(N)CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C18H35N/c1-6-14-7-9-15(10-8-14)18(19)12-16(2,3)11-17(4,5)13-18/h14-15H,6-13,19H2,1-5H3
InChIKeyUQPCTWDOWFUPLZ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.14
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine

1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103961155) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103961155
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCC1CCC(C2(N)CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C18H35N/c1-6-14-7-9-15(10-8-14)18(19)12-16(2,3)11-17(4,5)13-18/h14-15H,6-13,19H2,1-5H3
InChIKeyUQPCTWDOWFUPLZ-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103961155) is 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine is CCC1CCC(C2(N)CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is UQPCTWDOWFUPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-14-7-9-15(10-8-14)18(19)12-16(2,3)11-17(4,5)13-18/h14-15H,6-13,19H2,1-5H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine?
1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103961155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).